2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | F151-0337 |
| Compound Name: | 2-{[6-(2-acetamidophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 440.44 |
| Molecular Formula: | C19 H16 N6 O5 S |
| Smiles: | CC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8793 |
| logD: | 1.7242 |
| logSw: | -2.912 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.891 |
| InChI Key: | WAYYFSQSMXQMBJ-UHFFFAOYSA-N |